USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -165:sc= -0.0134 (180deg=-0.272) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.5) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-5.4!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 15 MET CE :methyl 176:sc= -5.21! (180deg=-5.48!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.52) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.112 (180deg=-0.81) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 31 SER OG : rot -56:sc= -3.94! USER MOD Single : A 36 MET CE :methyl 150:sc= -0.303 (180deg=-1.98!) USER MOD Single : A 39 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -72:sc= 0.127 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -153:sc= -0.15 (180deg=-1.35!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -103:sc= -0.093 (180deg=-1.58!) USER MOD Single : A 54 SER OG : rot -34:sc= 1.17 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.095 13.454 -3.111 1.00 0.00 N ATOM 2 CA LYS A 1 -7.174 12.046 -2.630 1.00 0.00 C ATOM 3 C LYS A 1 -8.023 11.989 -1.359 1.00 0.00 C ATOM 4 O LYS A 1 -8.961 11.223 -1.263 1.00 0.00 O ATOM 5 CB LYS A 1 -5.766 11.529 -2.327 1.00 0.00 C ATOM 6 CG LYS A 1 -4.970 11.427 -3.630 1.00 0.00 C ATOM 7 CD LYS A 1 -3.604 10.797 -3.346 1.00 0.00 C ATOM 8 CE LYS A 1 -2.756 10.822 -4.619 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.651 9.830 -4.500 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.745 13.467 -4.090 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.040 13.887 -3.075 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.445 13.992 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.630 11.424 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.262 12.200 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.821 10.553 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.516 10.825 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.842 12.417 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.099 11.342 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.730 9.771 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.375 10.590 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.347 11.820 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.075 9.847 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.055 10.071 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.051 8.879 -4.369 1.00 0.00 H new ATOM 10 N ASN A 2 -7.704 12.793 -0.382 1.00 0.00 N ATOM 11 CA ASN A 2 -8.496 12.783 0.879 1.00 0.00 C ATOM 12 C ASN A 2 -9.978 12.968 0.550 1.00 0.00 C ATOM 13 O ASN A 2 -10.846 12.534 1.281 1.00 0.00 O ATOM 14 CB ASN A 2 -8.031 13.925 1.785 1.00 0.00 C ATOM 15 CG ASN A 2 -6.559 13.722 2.148 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.045 12.624 2.060 1.00 0.00 O ATOM 17 ND2 ASN A 2 -5.853 14.742 2.556 1.00 0.00 N ATOM 0 H ASN A 2 -6.929 13.456 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.351 11.831 1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.163 14.881 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.639 13.956 2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.871 14.617 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.284 15.664 2.630 1.00 0.00 H new ATOM 18 N GLU A 3 -10.275 13.610 -0.548 1.00 0.00 N ATOM 19 CA GLU A 3 -11.700 13.822 -0.925 1.00 0.00 C ATOM 20 C GLU A 3 -12.412 12.470 -0.994 1.00 0.00 C ATOM 21 O GLU A 3 -13.610 12.379 -0.815 1.00 0.00 O ATOM 22 CB GLU A 3 -11.769 14.508 -2.291 1.00 0.00 C ATOM 23 CG GLU A 3 -11.170 15.913 -2.186 1.00 0.00 C ATOM 24 CD GLU A 3 -11.339 16.640 -3.521 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.772 16.006 -4.469 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.031 17.820 -3.573 1.00 0.00 O ATOM 0 H GLU A 3 -9.592 13.996 -1.199 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.186 14.451 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.224 13.923 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.804 14.566 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.663 16.472 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.114 15.851 -1.925 1.00 0.00 H new ATOM 27 N ASP A 4 -11.683 11.418 -1.250 1.00 0.00 N ATOM 28 CA ASP A 4 -12.317 10.073 -1.328 1.00 0.00 C ATOM 29 C ASP A 4 -12.853 9.685 0.050 1.00 0.00 C ATOM 30 O ASP A 4 -13.766 8.892 0.171 1.00 0.00 O ATOM 31 CB ASP A 4 -11.277 9.044 -1.777 1.00 0.00 C ATOM 32 CG ASP A 4 -10.224 8.867 -0.680 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.105 9.754 0.148 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.555 7.847 -0.688 1.00 0.00 O ATOM 0 H ASP A 4 -10.675 11.433 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.137 10.098 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.761 8.090 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.802 9.372 -2.702 1.00 0.00 H new ATOM 35 N GLN A 5 -12.293 10.238 1.091 1.00 0.00 N ATOM 36 CA GLN A 5 -12.769 9.903 2.461 1.00 0.00 C ATOM 37 C GLN A 5 -14.151 10.521 2.690 1.00 0.00 C ATOM 38 O GLN A 5 -14.947 10.016 3.457 1.00 0.00 O ATOM 39 CB GLN A 5 -11.786 10.461 3.492 1.00 0.00 C ATOM 40 CG GLN A 5 -12.203 10.010 4.892 1.00 0.00 C ATOM 41 CD GLN A 5 -11.251 10.614 5.927 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.269 11.239 5.577 1.00 0.00 O ATOM 43 NE2 GLN A 5 -11.502 10.453 7.198 1.00 0.00 N ATOM 0 H GLN A 5 -11.525 10.908 1.051 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.834 8.820 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.776 10.114 3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.767 11.550 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.227 10.324 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.184 8.922 4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.326 9.929 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.874 10.852 7.896 1.00 0.00 H new ATOM 44 N GLU A 6 -14.441 11.609 2.030 1.00 0.00 N ATOM 45 CA GLU A 6 -15.772 12.255 2.212 1.00 0.00 C ATOM 46 C GLU A 6 -16.854 11.381 1.573 1.00 0.00 C ATOM 47 O GLU A 6 -18.021 11.488 1.894 1.00 0.00 O ATOM 48 CB GLU A 6 -15.769 13.632 1.542 1.00 0.00 C ATOM 49 CG GLU A 6 -17.119 14.313 1.774 1.00 0.00 C ATOM 50 CD GLU A 6 -17.206 15.577 0.916 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.270 15.835 0.179 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.209 16.266 1.012 1.00 0.00 O ATOM 0 H GLU A 6 -13.816 12.078 1.374 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.977 12.370 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.965 14.245 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.580 13.528 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.931 13.631 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.234 14.567 2.828 1.00 0.00 H new ATOM 53 N MET A 7 -16.474 10.517 0.672 1.00 0.00 N ATOM 54 CA MET A 7 -17.480 9.637 0.015 1.00 0.00 C ATOM 55 C MET A 7 -18.001 8.616 1.028 1.00 0.00 C ATOM 56 O MET A 7 -19.072 8.064 0.873 1.00 0.00 O ATOM 57 CB MET A 7 -16.829 8.902 -1.157 1.00 0.00 C ATOM 58 CG MET A 7 -16.409 9.914 -2.225 1.00 0.00 C ATOM 59 SD MET A 7 -15.669 9.040 -3.627 1.00 0.00 S ATOM 60 CE MET A 7 -15.197 10.500 -4.584 1.00 0.00 C ATOM 0 H MET A 7 -15.511 10.383 0.363 1.00 0.00 H new ATOM 0 HA MET A 7 -18.308 10.244 -0.352 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.961 8.341 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.527 8.180 -1.580 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.274 10.489 -2.557 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.695 10.624 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.713 10.188 -5.509 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.087 11.084 -4.819 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.506 11.110 -4.001 1.00 0.00 H new ATOM 61 N CYS A 8 -17.252 8.360 2.066 1.00 0.00 N ATOM 62 CA CYS A 8 -17.705 7.375 3.086 1.00 0.00 C ATOM 63 C CYS A 8 -18.924 7.931 3.824 1.00 0.00 C ATOM 64 O CYS A 8 -19.827 7.201 4.182 1.00 0.00 O ATOM 65 CB CYS A 8 -16.579 7.116 4.088 1.00 0.00 C ATOM 66 SG CYS A 8 -15.532 5.766 3.487 1.00 0.00 S ATOM 0 H CYS A 8 -16.346 8.791 2.251 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.971 6.441 2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.984 8.019 4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.996 6.860 5.062 1.00 0.00 H new ATOM 67 N HIS A 9 -18.961 9.217 4.051 1.00 0.00 N ATOM 68 CA HIS A 9 -20.126 9.814 4.762 1.00 0.00 C ATOM 69 C HIS A 9 -21.416 9.209 4.199 1.00 0.00 C ATOM 70 O HIS A 9 -22.290 8.793 4.934 1.00 0.00 O ATOM 71 CB HIS A 9 -20.123 11.336 4.554 1.00 0.00 C ATOM 72 CG HIS A 9 -21.490 11.898 4.845 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.586 11.615 4.047 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.953 12.722 5.841 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.646 12.257 4.570 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.315 12.948 5.665 1.00 0.00 N ATOM 0 H HIS A 9 -18.235 9.878 3.775 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.063 9.602 5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.384 11.799 5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.835 11.571 3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.352 13.132 6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.643 12.219 4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.929 13.518 6.247 1.00 0.00 H new ATOM 77 N GLU A 10 -21.538 9.156 2.902 1.00 0.00 N ATOM 78 CA GLU A 10 -22.767 8.577 2.295 1.00 0.00 C ATOM 79 C GLU A 10 -22.757 7.057 2.475 1.00 0.00 C ATOM 80 O GLU A 10 -23.782 6.443 2.698 1.00 0.00 O ATOM 81 CB GLU A 10 -22.810 8.918 0.804 1.00 0.00 C ATOM 82 CG GLU A 10 -23.066 10.418 0.634 1.00 0.00 C ATOM 83 CD GLU A 10 -23.280 10.736 -0.846 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.116 9.837 -1.655 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.602 11.873 -1.147 1.00 0.00 O ATOM 0 H GLU A 10 -20.840 9.489 2.237 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.647 8.994 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.868 8.642 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.596 8.345 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.942 10.716 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.221 10.988 1.021 1.00 0.00 H new ATOM 86 N PHE A 11 -21.607 6.440 2.385 1.00 0.00 N ATOM 87 CA PHE A 11 -21.548 4.961 2.558 1.00 0.00 C ATOM 88 C PHE A 11 -21.534 4.620 4.047 1.00 0.00 C ATOM 89 O PHE A 11 -21.482 3.468 4.429 1.00 0.00 O ATOM 90 CB PHE A 11 -20.292 4.403 1.883 1.00 0.00 C ATOM 91 CG PHE A 11 -20.709 3.578 0.692 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.740 2.641 0.824 1.00 0.00 C ATOM 93 CD2 PHE A 11 -20.077 3.753 -0.545 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.139 1.877 -0.277 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.477 2.991 -1.649 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.507 2.052 -1.515 1.00 0.00 C ATOM 0 H PHE A 11 -20.713 6.894 2.200 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.426 4.511 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.639 5.217 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.725 3.792 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.228 2.508 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.281 4.476 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.933 1.153 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.991 3.127 -2.604 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.814 1.463 -2.366 1.00 0.00 H new ATOM 97 N GLN A 12 -21.595 5.610 4.896 1.00 0.00 N ATOM 98 CA GLN A 12 -21.603 5.332 6.357 1.00 0.00 C ATOM 99 C GLN A 12 -23.018 4.929 6.772 1.00 0.00 C ATOM 100 O GLN A 12 -23.224 4.293 7.786 1.00 0.00 O ATOM 101 CB GLN A 12 -21.180 6.584 7.125 1.00 0.00 C ATOM 102 CG GLN A 12 -21.022 6.240 8.608 1.00 0.00 C ATOM 103 CD GLN A 12 -20.610 7.492 9.384 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.295 8.508 8.797 1.00 0.00 O ATOM 105 NE2 GLN A 12 -20.598 7.462 10.688 1.00 0.00 N ATOM 0 H GLN A 12 -21.639 6.596 4.640 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.905 4.526 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.241 6.968 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.925 7.370 7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.959 5.847 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -20.272 5.459 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.862 6.609 11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.324 8.291 11.215 1.00 0.00 H new ATOM 106 N ALA A 13 -23.996 5.293 5.986 1.00 0.00 N ATOM 107 CA ALA A 13 -25.400 4.930 6.322 1.00 0.00 C ATOM 108 C ALA A 13 -25.688 3.518 5.812 1.00 0.00 C ATOM 109 O ALA A 13 -26.504 2.803 6.358 1.00 0.00 O ATOM 110 CB ALA A 13 -26.357 5.919 5.653 1.00 0.00 C ATOM 0 H ALA A 13 -23.881 5.827 5.125 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.540 4.966 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.385 5.653 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.147 6.927 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.221 5.882 4.572 1.00 0.00 H new ATOM 111 N PHE A 14 -25.015 3.108 4.771 1.00 0.00 N ATOM 112 CA PHE A 14 -25.240 1.739 4.226 1.00 0.00 C ATOM 113 C PHE A 14 -24.343 0.749 4.971 1.00 0.00 C ATOM 114 O PHE A 14 -24.133 -0.364 4.534 1.00 0.00 O ATOM 115 CB PHE A 14 -24.892 1.714 2.737 1.00 0.00 C ATOM 116 CG PHE A 14 -25.780 2.680 1.991 1.00 0.00 C ATOM 117 CD1 PHE A 14 -27.106 2.334 1.703 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.276 3.921 1.584 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.928 3.230 1.010 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.099 4.816 0.890 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.425 4.471 0.604 1.00 0.00 C ATOM 0 H PHE A 14 -24.318 3.663 4.274 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.286 1.463 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.845 1.982 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.020 0.707 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.494 1.376 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.253 4.188 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.951 2.963 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.710 5.773 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.060 5.163 0.070 1.00 0.00 H new ATOM 122 N MET A 15 -23.806 1.149 6.092 1.00 0.00 N ATOM 123 CA MET A 15 -22.920 0.235 6.862 1.00 0.00 C ATOM 124 C MET A 15 -23.770 -0.747 7.666 1.00 0.00 C ATOM 125 O MET A 15 -24.813 -0.402 8.183 1.00 0.00 O ATOM 126 CB MET A 15 -22.058 1.057 7.818 1.00 0.00 C ATOM 127 CG MET A 15 -20.681 1.284 7.195 1.00 0.00 C ATOM 128 SD MET A 15 -19.732 2.405 8.250 1.00 0.00 S ATOM 129 CE MET A 15 -18.896 1.133 9.230 1.00 0.00 C ATOM 0 H MET A 15 -23.944 2.071 6.507 1.00 0.00 H new ATOM 0 HA MET A 15 -22.282 -0.318 6.173 1.00 0.00 H new ATOM 0 HB2 MET A 15 -22.537 2.014 8.026 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.957 0.538 8.771 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.156 0.335 7.087 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.785 1.706 6.196 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.191 1.605 9.914 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.634 0.571 9.802 1.00 0.00 H new ATOM 0 HE3 MET A 15 -18.359 0.456 8.565 1.00 0.00 H new ATOM 130 N LYS A 16 -23.331 -1.969 7.775 1.00 0.00 N ATOM 131 CA LYS A 16 -24.114 -2.974 8.547 1.00 0.00 C ATOM 132 C LYS A 16 -23.261 -3.507 9.698 1.00 0.00 C ATOM 133 O LYS A 16 -22.137 -3.925 9.510 1.00 0.00 O ATOM 134 CB LYS A 16 -24.513 -4.124 7.624 1.00 0.00 C ATOM 135 CG LYS A 16 -25.361 -3.578 6.475 1.00 0.00 C ATOM 136 CD LYS A 16 -26.094 -4.729 5.784 1.00 0.00 C ATOM 137 CE LYS A 16 -26.993 -4.168 4.681 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.278 -3.702 5.275 1.00 0.00 N ATOM 0 H LYS A 16 -22.465 -2.316 7.363 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.013 -2.508 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -23.623 -4.617 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.074 -4.875 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.080 -2.852 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -24.727 -3.055 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -25.375 -5.431 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -26.691 -5.282 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.493 -3.342 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.184 -4.933 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.889 -3.321 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.756 -4.501 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.087 -2.959 5.977 1.00 0.00 H new ATOM 139 N ASN A 17 -23.786 -3.492 10.893 1.00 0.00 N ATOM 140 CA ASN A 17 -23.005 -3.994 12.057 1.00 0.00 C ATOM 141 C ASN A 17 -21.669 -3.252 12.130 1.00 0.00 C ATOM 142 O ASN A 17 -20.652 -3.819 12.477 1.00 0.00 O ATOM 143 CB ASN A 17 -22.750 -5.492 11.893 1.00 0.00 C ATOM 144 CG ASN A 17 -22.215 -6.063 13.207 1.00 0.00 C ATOM 145 OD1 ASN A 17 -21.056 -6.414 13.305 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.018 -6.168 14.231 1.00 0.00 N ATOM 0 H ASN A 17 -24.723 -3.153 11.113 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.567 -3.822 12.975 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.672 -6.000 11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.033 -5.664 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.672 -6.545 15.114 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.991 -5.873 14.148 1.00 0.00 H new ATOM 147 N GLY A 18 -21.662 -1.990 11.803 1.00 0.00 N ATOM 148 CA GLY A 18 -20.391 -1.215 11.851 1.00 0.00 C ATOM 149 C GLY A 18 -19.483 -1.661 10.704 1.00 0.00 C ATOM 150 O GLY A 18 -18.279 -1.507 10.755 1.00 0.00 O ATOM 0 H GLY A 18 -22.482 -1.462 11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.599 -0.148 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.892 -1.372 12.807 1.00 0.00 H new ATOM 151 N LYS A 19 -20.053 -2.215 9.667 1.00 0.00 N ATOM 152 CA LYS A 19 -19.224 -2.673 8.516 1.00 0.00 C ATOM 153 C LYS A 19 -19.792 -2.100 7.216 1.00 0.00 C ATOM 154 O LYS A 19 -20.980 -1.876 7.092 1.00 0.00 O ATOM 155 CB LYS A 19 -19.250 -4.201 8.446 1.00 0.00 C ATOM 156 CG LYS A 19 -18.286 -4.676 7.355 1.00 0.00 C ATOM 157 CD LYS A 19 -18.839 -5.944 6.700 1.00 0.00 C ATOM 158 CE LYS A 19 -17.716 -6.656 5.943 1.00 0.00 C ATOM 159 NZ LYS A 19 -16.709 -7.168 6.914 1.00 0.00 N ATOM 0 H LYS A 19 -21.056 -2.370 9.568 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.198 -2.329 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.965 -4.625 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.260 -4.549 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.155 -3.895 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.304 -4.875 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.258 -6.605 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.649 -5.690 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.123 -7.480 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.243 -5.969 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.251 -8.016 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.991 -6.436 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.181 -7.410 7.808 1.00 0.00 H new ATOM 160 N LEU A 20 -18.954 -1.865 6.245 1.00 0.00 N ATOM 161 CA LEU A 20 -19.448 -1.313 4.952 1.00 0.00 C ATOM 162 C LEU A 20 -19.987 -2.460 4.095 1.00 0.00 C ATOM 163 O LEU A 20 -19.340 -3.473 3.921 1.00 0.00 O ATOM 164 CB LEU A 20 -18.292 -0.617 4.225 1.00 0.00 C ATOM 165 CG LEU A 20 -18.816 0.205 3.038 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.103 -0.718 1.856 1.00 0.00 C ATOM 167 CD2 LEU A 20 -20.097 0.947 3.430 1.00 0.00 C ATOM 0 H LEU A 20 -17.949 -2.031 6.291 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.244 -0.590 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.759 0.034 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.577 -1.360 3.872 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.056 0.933 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.474 -0.130 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.186 -1.230 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.854 -1.454 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -20.457 1.525 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -20.859 0.226 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -19.888 1.618 4.263 1.00 0.00 H new ATOM 168 N PHE A 21 -21.171 -2.316 3.569 1.00 0.00 N ATOM 169 CA PHE A 21 -21.750 -3.408 2.737 1.00 0.00 C ATOM 170 C PHE A 21 -21.569 -3.092 1.250 1.00 0.00 C ATOM 171 O PHE A 21 -22.494 -2.673 0.584 1.00 0.00 O ATOM 172 CB PHE A 21 -23.241 -3.545 3.047 1.00 0.00 C ATOM 173 CG PHE A 21 -23.489 -4.845 3.772 1.00 0.00 C ATOM 174 CD1 PHE A 21 -22.911 -5.070 5.027 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.300 -5.827 3.190 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.143 -6.276 5.698 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.532 -7.033 3.861 1.00 0.00 C ATOM 178 CZ PHE A 21 -23.954 -7.258 5.116 1.00 0.00 C ATOM 0 H PHE A 21 -21.762 -1.492 3.679 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.236 -4.341 2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -23.574 -2.706 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -23.819 -3.516 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.286 -4.313 5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -24.747 -5.654 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.696 -6.449 6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.157 -7.790 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.133 -8.188 5.635 1.00 0.00 H new ATOM 179 N CYS A 22 -20.390 -3.298 0.725 1.00 0.00 N ATOM 180 CA CYS A 22 -20.158 -3.021 -0.725 1.00 0.00 C ATOM 181 C CYS A 22 -21.361 -3.522 -1.530 1.00 0.00 C ATOM 182 O CYS A 22 -21.538 -4.709 -1.719 1.00 0.00 O ATOM 183 CB CYS A 22 -18.899 -3.761 -1.189 1.00 0.00 C ATOM 184 SG CYS A 22 -17.570 -2.573 -1.508 1.00 0.00 S ATOM 0 H CYS A 22 -19.578 -3.645 1.236 1.00 0.00 H new ATOM 0 HA CYS A 22 -20.030 -1.949 -0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -18.585 -4.476 -0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -19.114 -4.331 -2.093 1.00 0.00 H new ATOM 185 N PRO A 23 -22.206 -2.595 -2.005 1.00 0.00 N ATOM 186 CA PRO A 23 -23.404 -2.936 -2.785 1.00 0.00 C ATOM 187 C PRO A 23 -23.051 -3.526 -4.154 1.00 0.00 C ATOM 188 O PRO A 23 -22.041 -3.194 -4.743 1.00 0.00 O ATOM 189 CB PRO A 23 -24.113 -1.592 -2.957 1.00 0.00 C ATOM 190 CG PRO A 23 -23.028 -0.580 -2.826 1.00 0.00 C ATOM 191 CD PRO A 23 -22.059 -1.141 -1.825 1.00 0.00 C ATOM 0 HA PRO A 23 -24.011 -3.693 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -24.605 -1.524 -3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -24.883 -1.449 -2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -22.541 -0.404 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -23.426 0.378 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -21.039 -0.811 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -22.304 -0.833 -0.809 1.00 0.00 H new ATOM 192 N GLN A 24 -23.876 -4.401 -4.659 1.00 0.00 N ATOM 193 CA GLN A 24 -23.593 -5.021 -5.985 1.00 0.00 C ATOM 194 C GLN A 24 -23.578 -3.943 -7.068 1.00 0.00 C ATOM 195 O GLN A 24 -22.742 -3.946 -7.950 1.00 0.00 O ATOM 196 CB GLN A 24 -24.678 -6.050 -6.309 1.00 0.00 C ATOM 197 CG GLN A 24 -24.595 -7.210 -5.315 1.00 0.00 C ATOM 198 CD GLN A 24 -25.691 -8.230 -5.628 1.00 0.00 C ATOM 199 OE1 GLN A 24 -26.621 -7.936 -6.353 1.00 0.00 O ATOM 200 NE2 GLN A 24 -25.621 -9.426 -5.110 1.00 0.00 N ATOM 0 H GLN A 24 -24.736 -4.714 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 24 -22.620 -5.512 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -25.662 -5.584 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -24.551 -6.419 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -23.615 -7.684 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -24.709 -6.839 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -24.841 -9.673 -4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -26.347 -10.113 -5.314 1.00 0.00 H new ATOM 201 N ASP A 25 -24.496 -3.020 -7.012 1.00 0.00 N ATOM 202 CA ASP A 25 -24.532 -1.947 -8.044 1.00 0.00 C ATOM 203 C ASP A 25 -25.643 -0.945 -7.715 1.00 0.00 C ATOM 204 O ASP A 25 -26.238 -0.356 -8.595 1.00 0.00 O ATOM 205 CB ASP A 25 -24.797 -2.570 -9.415 1.00 0.00 C ATOM 206 CG ASP A 25 -24.701 -1.490 -10.494 1.00 0.00 C ATOM 207 OD1 ASP A 25 -24.490 -0.343 -10.138 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.842 -1.828 -11.657 1.00 0.00 O ATOM 0 H ASP A 25 -25.222 -2.962 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.574 -1.428 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.074 -3.361 -9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -25.785 -3.030 -9.432 1.00 0.00 H new ATOM 209 N LYS A 26 -25.927 -0.743 -6.457 1.00 0.00 N ATOM 210 CA LYS A 26 -26.996 0.227 -6.086 1.00 0.00 C ATOM 211 C LYS A 26 -26.578 1.626 -6.539 1.00 0.00 C ATOM 212 O LYS A 26 -27.357 2.372 -7.097 1.00 0.00 O ATOM 213 CB LYS A 26 -27.196 0.213 -4.569 1.00 0.00 C ATOM 214 CG LYS A 26 -27.751 -1.147 -4.141 1.00 0.00 C ATOM 215 CD LYS A 26 -28.174 -1.087 -2.672 1.00 0.00 C ATOM 216 CE LYS A 26 -28.641 -2.471 -2.221 1.00 0.00 C ATOM 217 NZ LYS A 26 -28.168 -2.724 -0.830 1.00 0.00 N ATOM 0 H LYS A 26 -25.467 -1.206 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.932 -0.051 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -26.249 0.407 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -27.882 1.007 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.603 -1.416 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -26.996 -1.920 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.339 -0.754 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -28.976 -0.360 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -29.728 -2.532 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -28.252 -3.235 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.485 -3.665 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.129 -2.682 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -28.560 -2.001 -0.193 1.00 0.00 H new ATOM 218 N LYS A 27 -25.346 1.978 -6.309 1.00 0.00 N ATOM 219 CA LYS A 27 -24.854 3.321 -6.729 1.00 0.00 C ATOM 220 C LYS A 27 -23.566 3.140 -7.533 1.00 0.00 C ATOM 221 O LYS A 27 -22.475 3.258 -7.011 1.00 0.00 O ATOM 222 CB LYS A 27 -24.573 4.175 -5.492 1.00 0.00 C ATOM 223 CG LYS A 27 -24.043 5.543 -5.927 1.00 0.00 C ATOM 224 CD LYS A 27 -24.715 6.637 -5.095 1.00 0.00 C ATOM 225 CE LYS A 27 -25.250 7.729 -6.024 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.316 8.890 -6.014 1.00 0.00 N ATOM 0 H LYS A 27 -24.653 1.391 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.607 3.819 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.484 4.296 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.845 3.678 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.962 5.584 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.243 5.702 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.530 6.213 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.001 7.062 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.354 7.341 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.242 8.044 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.679 9.633 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.238 9.265 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -23.378 8.584 -6.343 1.00 0.00 H new ATOM 227 N PRO A 28 -23.704 2.833 -8.831 1.00 0.00 N ATOM 228 CA PRO A 28 -22.560 2.611 -9.724 1.00 0.00 C ATOM 229 C PRO A 28 -21.762 3.891 -9.985 1.00 0.00 C ATOM 230 O PRO A 28 -22.249 4.831 -10.580 1.00 0.00 O ATOM 231 CB PRO A 28 -23.209 2.129 -11.023 1.00 0.00 C ATOM 232 CG PRO A 28 -24.591 2.686 -10.978 1.00 0.00 C ATOM 233 CD PRO A 28 -24.991 2.678 -9.531 1.00 0.00 C ATOM 0 HA PRO A 28 -21.847 1.908 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -22.664 2.488 -11.896 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.221 1.041 -11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -24.618 3.697 -11.385 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -25.275 2.083 -11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.678 3.491 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.491 1.749 -9.256 1.00 0.00 H new ATOM 234 N ILE A 29 -20.531 3.922 -9.555 1.00 0.00 N ATOM 235 CA ILE A 29 -19.686 5.126 -9.788 1.00 0.00 C ATOM 236 C ILE A 29 -18.459 4.715 -10.600 1.00 0.00 C ATOM 237 O ILE A 29 -18.258 3.552 -10.892 1.00 0.00 O ATOM 238 CB ILE A 29 -19.226 5.709 -8.446 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.261 4.736 -7.767 1.00 0.00 C ATOM 240 CG2 ILE A 29 -20.435 5.934 -7.537 1.00 0.00 C ATOM 241 CD1 ILE A 29 -16.848 4.932 -8.325 1.00 0.00 C ATOM 0 H ILE A 29 -20.073 3.163 -9.051 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.263 5.877 -10.327 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.723 6.660 -8.625 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.262 4.901 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.588 3.710 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.102 6.348 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -21.125 6.630 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.941 4.984 -7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.165 4.236 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.852 4.745 -9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.521 5.954 -8.136 1.00 0.00 H new ATOM 242 N GLN A 30 -17.629 5.653 -10.956 1.00 0.00 N ATOM 243 CA GLN A 30 -16.407 5.304 -11.731 1.00 0.00 C ATOM 244 C GLN A 30 -15.256 5.079 -10.750 1.00 0.00 C ATOM 245 O GLN A 30 -14.926 5.942 -9.963 1.00 0.00 O ATOM 246 CB GLN A 30 -16.056 6.452 -12.679 1.00 0.00 C ATOM 247 CG GLN A 30 -17.027 6.451 -13.862 1.00 0.00 C ATOM 248 CD GLN A 30 -16.576 7.486 -14.894 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.665 8.251 -14.645 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.178 7.544 -16.049 1.00 0.00 N ATOM 0 H GLN A 30 -17.743 6.644 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.581 4.401 -12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.111 7.404 -12.151 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.032 6.343 -13.035 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.062 5.461 -14.316 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.036 6.680 -13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.943 6.902 -16.258 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.884 8.231 -16.743 1.00 0.00 H new ATOM 251 N SER A 31 -14.647 3.924 -10.777 1.00 0.00 N ATOM 252 CA SER A 31 -13.531 3.664 -9.824 1.00 0.00 C ATOM 253 C SER A 31 -12.247 4.314 -10.338 1.00 0.00 C ATOM 254 O SER A 31 -11.949 4.291 -11.516 1.00 0.00 O ATOM 255 CB SER A 31 -13.325 2.151 -9.679 1.00 0.00 C ATOM 256 OG SER A 31 -11.972 1.815 -9.956 1.00 0.00 O ATOM 0 H SER A 31 -14.871 3.157 -11.411 1.00 0.00 H new ATOM 0 HA SER A 31 -13.780 4.090 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.587 1.835 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.987 1.619 -10.361 1.00 0.00 H new ATOM 0 HG SER A 31 -11.730 2.141 -10.848 1.00 0.00 H new ATOM 257 N LEU A 32 -11.482 4.892 -9.453 1.00 0.00 N ATOM 258 CA LEU A 32 -10.210 5.544 -9.871 1.00 0.00 C ATOM 259 C LEU A 32 -9.038 4.618 -9.542 1.00 0.00 C ATOM 260 O LEU A 32 -7.917 4.851 -9.946 1.00 0.00 O ATOM 261 CB LEU A 32 -10.042 6.868 -9.122 1.00 0.00 C ATOM 262 CG LEU A 32 -10.307 6.649 -7.630 1.00 0.00 C ATOM 263 CD1 LEU A 32 -9.162 7.253 -6.816 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.622 7.325 -7.239 1.00 0.00 C ATOM 0 H LEU A 32 -11.685 4.941 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.234 5.738 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.034 7.256 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.732 7.613 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.375 5.580 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.350 7.098 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.225 6.771 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.095 8.322 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.810 7.169 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.556 8.394 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.439 6.895 -7.819 1.00 0.00 H new ATOM 265 N ASP A 33 -9.291 3.564 -8.814 1.00 0.00 N ATOM 266 CA ASP A 33 -8.196 2.617 -8.464 1.00 0.00 C ATOM 267 C ASP A 33 -7.936 1.681 -9.648 1.00 0.00 C ATOM 268 O ASP A 33 -7.168 0.744 -9.553 1.00 0.00 O ATOM 269 CB ASP A 33 -8.608 1.794 -7.241 1.00 0.00 C ATOM 270 CG ASP A 33 -8.709 2.709 -6.019 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.193 3.813 -6.087 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.302 2.292 -5.038 1.00 0.00 O ATOM 0 H ASP A 33 -10.210 3.318 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.288 3.175 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.566 1.307 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.879 1.005 -7.058 1.00 0.00 H new ATOM 273 N GLY A 34 -8.573 1.925 -10.762 1.00 0.00 N ATOM 274 CA GLY A 34 -8.366 1.048 -11.948 1.00 0.00 C ATOM 275 C GLY A 34 -9.642 0.249 -12.215 1.00 0.00 C ATOM 276 O GLY A 34 -9.781 -0.398 -13.233 1.00 0.00 O ATOM 0 H GLY A 34 -9.228 2.695 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.111 1.650 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.530 0.371 -11.773 1.00 0.00 H new ATOM 277 N ILE A 35 -10.575 0.288 -11.303 1.00 0.00 N ATOM 278 CA ILE A 35 -11.845 -0.467 -11.494 1.00 0.00 C ATOM 279 C ILE A 35 -12.902 0.471 -12.082 1.00 0.00 C ATOM 280 O ILE A 35 -12.714 1.668 -12.153 1.00 0.00 O ATOM 281 CB ILE A 35 -12.337 -0.999 -10.140 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.143 -1.437 -9.280 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.259 -2.197 -10.369 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.509 -1.315 -7.797 1.00 0.00 C ATOM 0 H ILE A 35 -10.511 0.813 -10.431 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.674 -1.304 -12.171 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.880 -0.207 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.870 -2.466 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.274 -0.818 -9.503 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.609 -2.576 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.114 -1.888 -10.971 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.712 -2.982 -10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.661 -1.626 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.760 -0.279 -7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.366 -1.953 -7.580 1.00 0.00 H new ATOM 285 N MET A 36 -14.017 -0.061 -12.496 1.00 0.00 N ATOM 286 CA MET A 36 -15.089 0.803 -13.068 1.00 0.00 C ATOM 287 C MET A 36 -16.427 0.398 -12.450 1.00 0.00 C ATOM 288 O MET A 36 -17.178 -0.366 -13.023 1.00 0.00 O ATOM 289 CB MET A 36 -15.150 0.614 -14.585 1.00 0.00 C ATOM 290 CG MET A 36 -13.883 1.183 -15.223 1.00 0.00 C ATOM 291 SD MET A 36 -13.931 0.906 -17.011 1.00 0.00 S ATOM 292 CE MET A 36 -15.475 1.794 -17.336 1.00 0.00 C ATOM 0 H MET A 36 -14.234 -1.057 -12.464 1.00 0.00 H new ATOM 0 HA MET A 36 -14.877 1.849 -12.848 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.247 -0.445 -14.826 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.030 1.115 -14.989 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.804 2.249 -15.011 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.001 0.707 -14.794 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.448 2.214 -18.341 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.315 1.105 -17.253 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.592 2.598 -16.610 1.00 0.00 H new ATOM 293 N PHE A 37 -16.729 0.889 -11.278 1.00 0.00 N ATOM 294 CA PHE A 37 -18.016 0.505 -10.636 1.00 0.00 C ATOM 295 C PHE A 37 -18.182 1.227 -9.295 1.00 0.00 C ATOM 296 O PHE A 37 -17.598 2.264 -9.064 1.00 0.00 O ATOM 297 CB PHE A 37 -18.020 -1.009 -10.416 1.00 0.00 C ATOM 298 CG PHE A 37 -17.206 -1.368 -9.188 1.00 0.00 C ATOM 299 CD1 PHE A 37 -16.101 -0.590 -8.819 1.00 0.00 C ATOM 300 CD2 PHE A 37 -17.561 -2.485 -8.420 1.00 0.00 C ATOM 301 CE1 PHE A 37 -15.353 -0.927 -7.685 1.00 0.00 C ATOM 302 CE2 PHE A 37 -16.812 -2.822 -7.285 1.00 0.00 C ATOM 303 CZ PHE A 37 -15.708 -2.043 -6.919 1.00 0.00 C ATOM 0 H PHE A 37 -16.146 1.533 -10.743 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.845 0.792 -11.283 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.044 -1.363 -10.297 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -17.609 -1.511 -11.292 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -15.826 0.271 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -18.412 -3.086 -8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -14.502 -0.326 -7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -17.086 -3.682 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 37 -15.130 -2.303 -6.045 1.00 0.00 H new ATOM 304 N ILE A 38 -18.977 0.677 -8.413 1.00 0.00 N ATOM 305 CA ILE A 38 -19.187 1.321 -7.084 1.00 0.00 C ATOM 306 C ILE A 38 -17.867 1.337 -6.314 1.00 0.00 C ATOM 307 O ILE A 38 -17.698 0.633 -5.337 1.00 0.00 O ATOM 308 CB ILE A 38 -20.228 0.534 -6.287 1.00 0.00 C ATOM 309 CG1 ILE A 38 -21.510 0.399 -7.114 1.00 0.00 C ATOM 310 CG2 ILE A 38 -20.531 1.276 -4.983 1.00 0.00 C ATOM 311 CD1 ILE A 38 -22.653 -0.079 -6.215 1.00 0.00 C ATOM 0 H ILE A 38 -19.490 -0.192 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 38 -19.540 2.342 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.842 -0.459 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -21.766 1.357 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -21.356 -0.307 -7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -21.273 0.719 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.617 1.370 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.919 2.269 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -23.564 -0.174 -6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -22.397 -1.047 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -22.813 0.644 -5.415 1.00 0.00 H new ATOM 312 N ASN A 39 -16.929 2.131 -6.745 1.00 0.00 N ATOM 313 CA ASN A 39 -15.620 2.191 -6.041 1.00 0.00 C ATOM 314 C ASN A 39 -15.811 2.795 -4.652 1.00 0.00 C ATOM 315 O ASN A 39 -15.118 2.449 -3.717 1.00 0.00 O ATOM 316 CB ASN A 39 -14.656 3.064 -6.842 1.00 0.00 C ATOM 317 CG ASN A 39 -13.215 2.660 -6.522 1.00 0.00 C ATOM 318 OD1 ASN A 39 -12.934 1.503 -6.287 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.284 3.575 -6.507 1.00 0.00 N ATOM 0 H ASN A 39 -17.013 2.743 -7.557 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.214 1.184 -5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.848 2.952 -7.909 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.813 4.115 -6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.319 3.318 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.521 4.547 -6.705 1.00 0.00 H new ATOM 320 N LYS A 40 -16.739 3.701 -4.507 1.00 0.00 N ATOM 321 CA LYS A 40 -16.957 4.325 -3.174 1.00 0.00 C ATOM 322 C LYS A 40 -16.951 3.239 -2.102 1.00 0.00 C ATOM 323 O LYS A 40 -16.275 3.349 -1.100 1.00 0.00 O ATOM 324 CB LYS A 40 -18.296 5.066 -3.164 1.00 0.00 C ATOM 325 CG LYS A 40 -18.174 6.342 -4.001 1.00 0.00 C ATOM 326 CD LYS A 40 -19.456 7.165 -3.873 1.00 0.00 C ATOM 327 CE LYS A 40 -19.386 8.366 -4.819 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.586 9.226 -4.623 1.00 0.00 N ATOM 0 H LYS A 40 -17.352 4.034 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.159 5.038 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.082 4.427 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.580 5.314 -2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.319 6.928 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.996 6.088 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.322 6.549 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.582 7.505 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.479 8.940 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.335 8.025 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.537 10.042 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.445 8.675 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.615 9.562 -3.639 1.00 0.00 H new ATOM 329 N CYS A 41 -17.683 2.185 -2.310 1.00 0.00 N ATOM 330 CA CYS A 41 -17.698 1.089 -1.304 1.00 0.00 C ATOM 331 C CYS A 41 -16.365 0.343 -1.386 1.00 0.00 C ATOM 332 O CYS A 41 -15.769 -0.011 -0.387 1.00 0.00 O ATOM 333 CB CYS A 41 -18.882 0.144 -1.590 1.00 0.00 C ATOM 334 SG CYS A 41 -18.409 -1.195 -2.721 1.00 0.00 S ATOM 0 H CYS A 41 -18.270 2.034 -3.130 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.823 1.489 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.244 -0.281 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -19.706 0.712 -2.022 1.00 0.00 H new ATOM 335 N ALA A 42 -15.895 0.113 -2.579 1.00 0.00 N ATOM 336 CA ALA A 42 -14.599 -0.600 -2.750 1.00 0.00 C ATOM 337 C ALA A 42 -13.482 0.209 -2.088 1.00 0.00 C ATOM 338 O ALA A 42 -12.501 -0.339 -1.623 1.00 0.00 O ATOM 339 CB ALA A 42 -14.299 -0.759 -4.242 1.00 0.00 C ATOM 0 H ALA A 42 -16.354 0.389 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.660 -1.584 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.350 -1.281 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.096 -1.334 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.237 0.225 -4.708 1.00 0.00 H new ATOM 340 N THR A 43 -13.617 1.508 -2.039 1.00 0.00 N ATOM 341 CA THR A 43 -12.555 2.339 -1.404 1.00 0.00 C ATOM 342 C THR A 43 -13.005 2.747 0.000 1.00 0.00 C ATOM 343 O THR A 43 -12.200 2.961 0.884 1.00 0.00 O ATOM 344 CB THR A 43 -12.316 3.594 -2.246 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.512 3.937 -2.931 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.201 3.330 -3.261 1.00 0.00 C ATOM 0 H THR A 43 -14.413 2.027 -2.410 1.00 0.00 H new ATOM 0 HA THR A 43 -11.631 1.764 -1.340 1.00 0.00 H new ATOM 0 HB THR A 43 -12.021 4.416 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.678 3.286 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.034 4.226 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.283 3.069 -2.734 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.491 2.507 -3.914 1.00 0.00 H new ATOM 347 N CYS A 44 -14.288 2.860 0.209 1.00 0.00 N ATOM 348 CA CYS A 44 -14.793 3.258 1.552 1.00 0.00 C ATOM 349 C CYS A 44 -14.652 2.089 2.527 1.00 0.00 C ATOM 350 O CYS A 44 -14.436 2.279 3.704 1.00 0.00 O ATOM 351 CB CYS A 44 -16.268 3.657 1.451 1.00 0.00 C ATOM 352 SG CYS A 44 -16.829 4.279 3.053 1.00 0.00 S ATOM 0 H CYS A 44 -15.009 2.694 -0.493 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.209 4.104 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.398 4.422 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.869 2.799 1.150 1.00 0.00 H new ATOM 353 N LYS A 45 -14.778 0.880 2.057 1.00 0.00 N ATOM 354 CA LYS A 45 -14.652 -0.285 2.978 1.00 0.00 C ATOM 355 C LYS A 45 -13.330 -0.199 3.744 1.00 0.00 C ATOM 356 O LYS A 45 -13.270 -0.464 4.928 1.00 0.00 O ATOM 357 CB LYS A 45 -14.691 -1.584 2.170 1.00 0.00 C ATOM 358 CG LYS A 45 -14.790 -2.775 3.124 1.00 0.00 C ATOM 359 CD LYS A 45 -14.836 -4.073 2.317 1.00 0.00 C ATOM 360 CE LYS A 45 -15.098 -5.250 3.257 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.809 -5.920 3.588 1.00 0.00 N ATOM 0 H LYS A 45 -14.962 0.648 1.081 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.480 -0.273 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.543 -1.577 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.795 -1.670 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.935 -2.785 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.684 -2.686 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.620 -4.016 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.894 -4.219 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.582 -4.900 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.779 -5.960 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.988 -6.720 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.364 -6.267 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.174 -5.240 4.053 1.00 0.00 H new ATOM 362 N MET A 46 -12.271 0.173 3.081 1.00 0.00 N ATOM 363 CA MET A 46 -10.957 0.280 3.774 1.00 0.00 C ATOM 364 C MET A 46 -10.880 1.628 4.488 1.00 0.00 C ATOM 365 O MET A 46 -10.248 1.764 5.517 1.00 0.00 O ATOM 366 CB MET A 46 -9.825 0.178 2.748 1.00 0.00 C ATOM 367 CG MET A 46 -9.832 -1.214 2.113 1.00 0.00 C ATOM 368 SD MET A 46 -9.730 -2.472 3.409 1.00 0.00 S ATOM 369 CE MET A 46 -8.117 -1.988 4.071 1.00 0.00 C ATOM 0 H MET A 46 -12.259 0.408 2.088 1.00 0.00 H new ATOM 0 HA MET A 46 -10.857 -0.528 4.499 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.948 0.940 1.979 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.865 0.364 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.741 -1.353 1.528 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.992 -1.316 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.635 -2.854 4.524 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.492 -1.606 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.251 -1.212 4.825 1.00 0.00 H new ATOM 370 N ILE A 47 -11.527 2.624 3.951 1.00 0.00 N ATOM 371 CA ILE A 47 -11.502 3.963 4.596 1.00 0.00 C ATOM 372 C ILE A 47 -12.517 3.985 5.740 1.00 0.00 C ATOM 373 O ILE A 47 -12.452 4.816 6.625 1.00 0.00 O ATOM 374 CB ILE A 47 -11.861 5.033 3.563 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.772 5.090 2.489 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.970 6.394 4.251 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.233 5.995 1.344 1.00 0.00 C ATOM 0 H ILE A 47 -12.073 2.567 3.091 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.506 4.167 4.989 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.816 4.784 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.844 5.470 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.563 4.088 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.226 7.155 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.746 6.354 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.016 6.645 4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.458 6.036 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.150 5.595 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.420 6.999 1.726 1.00 0.00 H new ATOM 378 N LEU A 48 -13.454 3.075 5.734 1.00 0.00 N ATOM 379 CA LEU A 48 -14.465 3.044 6.824 1.00 0.00 C ATOM 380 C LEU A 48 -13.790 2.563 8.109 1.00 0.00 C ATOM 381 O LEU A 48 -14.083 3.031 9.191 1.00 0.00 O ATOM 382 CB LEU A 48 -15.596 2.079 6.453 1.00 0.00 C ATOM 383 CG LEU A 48 -16.923 2.552 7.066 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.692 3.073 8.491 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.517 3.669 6.203 1.00 0.00 C ATOM 0 H LEU A 48 -13.561 2.353 5.021 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.879 4.042 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.690 2.018 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.360 1.077 6.810 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.615 1.711 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.640 3.405 8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.279 2.275 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.993 3.909 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.458 4.004 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.819 4.505 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.697 3.294 5.195 1.00 0.00 H new ATOM 386 N GLU A 49 -12.883 1.632 7.996 1.00 0.00 N ATOM 387 CA GLU A 49 -12.187 1.122 9.211 1.00 0.00 C ATOM 388 C GLU A 49 -11.416 2.265 9.874 1.00 0.00 C ATOM 389 O GLU A 49 -11.243 2.295 11.076 1.00 0.00 O ATOM 390 CB GLU A 49 -11.211 0.011 8.817 1.00 0.00 C ATOM 391 CG GLU A 49 -11.986 -1.148 8.187 1.00 0.00 C ATOM 392 CD GLU A 49 -11.015 -2.274 7.826 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.819 -2.037 7.877 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.484 -3.354 7.506 1.00 0.00 O ATOM 0 H GLU A 49 -12.594 1.203 7.117 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.924 0.725 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.472 0.394 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.665 -0.336 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.742 -1.514 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.511 -0.806 7.295 1.00 0.00 H new ATOM 395 N LYS A 50 -10.949 3.205 9.099 1.00 0.00 N ATOM 396 CA LYS A 50 -10.187 4.345 9.685 1.00 0.00 C ATOM 397 C LYS A 50 -11.080 5.113 10.661 1.00 0.00 C ATOM 398 O LYS A 50 -10.643 5.542 11.710 1.00 0.00 O ATOM 399 CB LYS A 50 -9.732 5.286 8.566 1.00 0.00 C ATOM 400 CG LYS A 50 -8.850 6.387 9.157 1.00 0.00 C ATOM 401 CD LYS A 50 -8.450 7.369 8.053 1.00 0.00 C ATOM 402 CE LYS A 50 -7.453 8.385 8.615 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.360 8.607 7.627 1.00 0.00 N ATOM 0 H LYS A 50 -11.062 3.233 8.086 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.316 3.960 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.180 4.729 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.598 5.725 8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.386 6.911 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.960 5.951 9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.005 6.831 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.332 7.882 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.959 9.326 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.039 8.022 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.682 9.297 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.871 7.708 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.763 8.971 6.740 1.00 0.00 H new ATOM 404 N GLU A 51 -12.327 5.290 10.324 1.00 0.00 N ATOM 405 CA GLU A 51 -13.246 6.031 11.233 1.00 0.00 C ATOM 406 C GLU A 51 -13.348 5.296 12.571 1.00 0.00 C ATOM 407 O GLU A 51 -13.523 5.900 13.610 1.00 0.00 O ATOM 408 CB GLU A 51 -14.632 6.123 10.593 1.00 0.00 C ATOM 409 CG GLU A 51 -14.546 6.948 9.307 1.00 0.00 C ATOM 410 CD GLU A 51 -15.940 7.082 8.692 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.843 6.415 9.169 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.081 7.849 7.755 1.00 0.00 O ATOM 0 H GLU A 51 -12.750 4.954 9.459 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.856 7.035 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.010 5.125 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.335 6.584 11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.136 7.935 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.869 6.469 8.599 1.00 0.00 H new ATOM 413 N ALA A 52 -13.242 3.996 12.553 1.00 0.00 N ATOM 414 CA ALA A 52 -13.335 3.225 13.825 1.00 0.00 C ATOM 415 C ALA A 52 -12.176 3.618 14.743 1.00 0.00 C ATOM 416 O ALA A 52 -12.285 3.572 15.953 1.00 0.00 O ATOM 417 CB ALA A 52 -13.260 1.727 13.522 1.00 0.00 C ATOM 0 H ALA A 52 -13.095 3.435 11.714 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.282 3.448 14.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.328 1.164 14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.085 1.447 12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.314 1.502 13.030 1.00 0.00 H new ATOM 418 N LYS A 53 -11.066 4.008 14.178 1.00 0.00 N ATOM 419 CA LYS A 53 -9.902 4.405 15.018 1.00 0.00 C ATOM 420 C LYS A 53 -10.287 5.606 15.883 1.00 0.00 C ATOM 421 O LYS A 53 -9.877 5.721 17.021 1.00 0.00 O ATOM 422 CB LYS A 53 -8.726 4.780 14.116 1.00 0.00 C ATOM 423 CG LYS A 53 -8.261 3.543 13.344 1.00 0.00 C ATOM 424 CD LYS A 53 -7.003 3.884 12.543 1.00 0.00 C ATOM 425 CE LYS A 53 -6.617 2.690 11.668 1.00 0.00 C ATOM 426 NZ LYS A 53 -6.755 3.060 10.231 1.00 0.00 N ATOM 0 H LYS A 53 -10.915 4.069 13.171 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.614 3.572 15.659 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.023 5.565 13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.907 5.177 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.054 2.726 14.036 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.050 3.202 12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.181 4.762 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.185 4.133 13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.591 2.387 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.255 1.836 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.628 2.644 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.797 4.095 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.937 2.699 9.700 1.00 0.00 H new ATOM 427 N SER A 54 -11.073 6.503 15.353 1.00 0.00 N ATOM 428 CA SER A 54 -11.484 7.695 16.145 1.00 0.00 C ATOM 429 C SER A 54 -12.378 7.250 17.305 1.00 0.00 C ATOM 430 O SER A 54 -12.471 7.912 18.319 1.00 0.00 O ATOM 431 CB SER A 54 -12.257 8.663 15.247 1.00 0.00 C ATOM 432 OG SER A 54 -13.485 8.067 14.855 1.00 0.00 O ATOM 0 H SER A 54 -11.448 6.461 14.405 1.00 0.00 H new ATOM 0 HA SER A 54 -10.598 8.194 16.538 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.446 9.596 15.778 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.664 8.912 14.367 1.00 0.00 H new ATOM 0 HG SER A 54 -13.362 7.100 14.755 1.00 0.00 H new ATOM 433 N GLN A 55 -13.039 6.134 17.162 1.00 0.00 N ATOM 434 CA GLN A 55 -13.926 5.647 18.255 1.00 0.00 C ATOM 435 C GLN A 55 -13.277 4.444 18.941 1.00 0.00 C ATOM 436 O GLN A 55 -12.272 3.970 18.436 1.00 0.00 O ATOM 437 CB GLN A 55 -15.277 5.232 17.668 1.00 0.00 C ATOM 438 CG GLN A 55 -15.976 6.459 17.080 1.00 0.00 C ATOM 439 CD GLN A 55 -17.308 6.036 16.456 1.00 0.00 C ATOM 440 OE1 GLN A 55 -17.524 4.871 16.187 1.00 0.00 O ATOM 441 NE2 GLN A 55 -18.217 6.940 16.211 1.00 0.00 N ATOM 442 OXT GLN A 55 -13.794 4.017 19.960 1.00 0.00 O ATOM 0 H GLN A 55 -13.003 5.538 16.335 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.075 6.444 18.984 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.133 4.477 16.895 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.899 4.782 18.442 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.147 7.202 17.859 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.341 6.927 16.327 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.037 7.918 16.436 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.107 6.668 15.794 1.00 0.00 H new TER 443 GLN A 55